4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine

C17H26FNS — CID 143388235

IUPAC4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine
SMILESCSc1ccc(CCCC(C)C2CCNCC2)cc1F
InChIInChI=1S/C17H26FNS/c1-13(15-8-10-19-11-9-15)4-3-5-14-6-7-17(20-2)16(18)12-14/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3
InChIKeyMUPSFQBMGRSBOU-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.51
Rot. Bonds6

About 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine

4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine (PubChem CID 143388235) has the molecular formula C17H26FNS and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine
PubChem CID143388235
Molecular FormulaC17H26FNS
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Name4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine
SMILESCSc1ccc(CCCC(C)C2CCNCC2)cc1F
InChIInChI=1S/C17H26FNS/c1-13(15-8-10-19-11-9-15)4-3-5-14-6-7-17(20-2)16(18)12-14/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3
InChIKeyMUPSFQBMGRSBOU-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine?
The IUPAC name of 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine (CID 143388235) is 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine.
What is the SMILES notation for 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine?
The canonical SMILES for 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine is CSc1ccc(CCCC(C)C2CCNCC2)cc1F.
What is the InChIKey of 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine?
The InChIKey is MUPSFQBMGRSBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNS/c1-13(15-8-10-19-11-9-15)4-3-5-14-6-7-17(20-2)16(18)12-14/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3.
What are the key properties of 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine?
4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine has a molecular weight of 295.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluoro-4-methylsulfanylphenyl)pentan-2-yl]piperidine is sourced from PubChem (CID 143388235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).